5-TERT-BUTYL-2-METHYLFURAN-3-CARBOXYLICACID
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5-TERT-BUTYL-2-METHYLFURAN-3-CARBOXYLICACID
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CAS No:
38422-62-7
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Formula:
C10H14O3
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Chemical Name:
5-TERT-BUTYL-2-METHYLFURAN-3-CARBOXYLICACID
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Synonyms:
BUTTPARK 37\08-28;5-TERT-BUTYL-2-METHYLFURAN-3-CARBOXYLIC ACID;5-(tert-Butyl)-2-methylfuran-3-carboxylic acid, 5-(tert-Butyl)-3-carboxy-2-methylfuran;5-TERT-BUTYL-2-METHYLFURAN-3-CARBOXYLIC ACID 97%;5-(TERT-BUTYL)-2-METHYL-3-FUROIC ACID;5-tert-butyl-2-methyl-3-furancarboxylate;3-Furancarboxylic acid, 5-(1,1-dimethylethyl)-2-methyl-
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CAS No:
Characteristics
50.44000
2.58370
1.086±0.06 g/cm3
89-92°C
280.8±28.0 °C(Predicted)
123.6ºC
4.59±0.26
Safety Information
36/37/38-36
26-36/37/39
Xi
|Warning|H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:182.22
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:182.094294304
Monoisotopic Mass:182.094294304
Topological Polar Surface Area:50.4
Heavy Atom Count:13
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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